Total synthesis of the marine cytotoxic caulibugulones A-D

We report the first total synthesis of the cytotoxic marine alkaloids caulibugulone A-D. This synthesis confirmed the assigned structures and provided sufficient material for further biological testing.     

Bismuth compounds in organic synthesis. Bismuth nitrate catalyzed chemoselective synthesis of acylals from aromatic aldehydes

Aromatic aldehydes are smoothly converted into the corresponding acylals in good yields in the presence of 3-10 mol% Bi(NO₃)₃·5H₂O. Ketones are not affected under the reaction conditions. The relatively non-toxic nature of the catalyst, its ease of handling, easy availability and low cost make this procedure especially attractive for large-scale synthesis.     

Structure and catalytic activity of some soluble polyethylene glycol-peptide conjugates

Soluble catalysts for the Juliá-Colonna asymmetric epoxidation reaction have been constructed in three different ways, using NH₂-PEG-OMe as the support system: suitable solvents have been identified and it is shown that the degree of helicity of the conjugates correlates with the extent of conversion and (to a lesser extent) the enantioselectivity of epoxidation.     

Study of ferroelectric switching by domain-wall induced light scattering

Measurements of 90°-scattering of weak laser light are used to investigate pulsed domain switching in ferroelectrics. The studies were performed on strontium-barium niobate (SBN) single crystals. A good agreement of the switching parameters estimated from the optical measurements with those obtained by means of conventional electrical methods proves the validity of the optical method for switching studies. Due to the limited scattering volume in all three spatial dimensions, the method facilitates local probing of the switching within the crystal bulk. In particular, local specialities of the domain density can be detected. Furthermore, the excellent time resolution inherent in optical probing techniques allows for a comprehensive study of the dynamics.     

Vessel Arrival Process and Queueing in Marine Ports Handling Bulk Materials

We study the vessel arrival process in bulk ports handling either cargo containers or minerals. Then we introduce the SHIP/G/1 queue to be able to study the queueing behavior at the port. We present approximations for the asymptotic probabilities of delay and the number of vessels at the port. Numerical examples show the accuracy of the approximations. In appendices, we provide details of the analysis of the number of vessels at the port and the correlation properties of the vessel arrival process.     

Compressible Flow in a Half-Space with Navier Boundary Conditions

We prove the global existence of weak solutions of the Navier–Stokes equations of compressible flow in a half-space with the boundary condition proposed by Navier: the velocity on the boundary is proportional to the tangential component of the stress. This boundary condition allows for the determination of the scalar function in the Helmholtz decomposition of the acceleration density, which in turn is crucial in obtaining pointwise bounds for the density. Initial data and solutions are small in energy-norm with nonnegative densities having arbitrarily large sup-norm. These results generalize previous results for solutions in the whole space and are the first for solutions in this intermediate regularity class in a region with a boundary.     

COSMIC(90): An improved molecular mechanics treatment of hydrocarbons and conjugated systems

Summary Four modifications to the COSMIC molecular mechanics force field are described, which greatly increase both its versatility and the accuracy of calculated conformational energies. The Hill non-bonded van der Waals potential function has been replaced by a two-parameter Morse curve and a new H-H potential, similar to that in MM3, incorporated. Hydrocarbon energies in particular are much improved.A simple iterative Hückel pi-electron molecular orbital calculation allows modelling of conjugated systems. Calculated bond lengths and rotational barriers for a series of conjugated hydrocarbons and nitrogen heterocycles are shown to be as accurate as those determined by the MM2 SCF method.Explicit hydrogen-bonding potentials for H-bond acceptor-donor atom pairs have been included to give better hydrogen bond energies and lengths. The van der Waals radii of protonic hydrogens are reduced to 0.5 Å and the energy well depth is increased to 1.0 kcal mol^-1.Two new general atom types, N⁺ _sp ² and O^- _sp ³ , have been introduced which allow a wide variety of charged conjugated systems to be studied. A minimum of parameterisation is required, as the new types are easily included in the Hückel scheme which automatically adjusts bond and torsional parameters according to the defined bond-order relationships.